4-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}-3-(4-fluorobenzamido)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}-3-(4-fluorobenzamido)benzoic acid--trifluoroacetic acid (1/1)
4-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}-3-(4-fluorobenzamido)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F086-0180 |
| Compound Name: | 4-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}-3-(4-fluorobenzamido)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 608.52 |
| Molecular Formula: | C26 H24 F2 N4 O4 |
| Salt: | CF3COOH |
| Smiles: | C1CN(CCN1CC(Nc1ccc(cc1)F)=O)c1ccc(cc1NC(c1ccc(cc1)F)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6559 |
| logD: | 2.7615 |
| logSw: | -4.4587 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.881 |
| InChI Key: | LINCBALHQSGICF-UHFFFAOYSA-N |